SCHEMBL3939464

SCHEMBL3939464

O=C(O)Cc1ccc(OCc2ccc(Cl)cc2)c(CN2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.59
CCR5 P51681 9/20 0.51
CNR1 P21554 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3928788 0.94 PTGDR2 (0.63) PTGDR2CCR5TDP1
SCHEMBL3927277 0.93 PTGDR2 (0.69) PTGDR2CCR5
SCHEMBL3927677 0.91 PTGDR2 (0.57) PTGDR2CCR5TDP1
SCHEMBL3929027 0.90 PTGDR2 (0.58) PTGDR2CCR5
SCHEMBL3937820 0.90 PTGDR2 (0.58) PTGDR2CCR5TDP1
SCHEMBL3931497 0.90 PTGDR2 (0.71) PTGDR2CCR5TDP1
SCHEMBL3929256 0.90 PTGDR2 (0.58) PTGDR2CCR5TDP1
SCHEMBL3928439 0.88 ALDH1A1 (0.63) PTGDR2TDP1
SCHEMBL3928324 0.88 PTGDR2 (0.54) PTGDR2CCR5TDP1
SCHEMBL3930914 0.88 PTGDR2 (0.55) PTGDR2CCR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP claimed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO claimed
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed